1-[3-azanyl-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)pentan-1-one

Systemtic Name: 1-[3-azanyl-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)pentan-1-one Openeye Name: 1-[3-amino-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)pentan-1-one CAS Name: 1-[3-amino-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenyl-1-piperazinyl)-1-pentanone IUPAC Name: 1-[3-amino-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenylpiperazin-1-yl)pentan-1-one Traditional Name: 1-[3-amino-4-(2-methylsulfinylethylsulfonyl)phenyl]-5-(4-phenylpiperazino)pentan-1-one Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)N

Isomeric SMILES

CS(=O)CCS(=O)(=O)C1=C(C=C(C=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)N

InChI

InChI=1S/C24H33N3O4S2/c1-32(29)17-18-33(30,31)24-11-10-20(19-22(24)25)23(28)9-5-6-12-26-13-15-27(16-14-26)21-7-3-2-4-8-21/h2-4,7-8,10-11,19H,5-6,9,12-18,25H2,1H3